4-[5-[1,4-bis(oxidanyl)cyclohexyl]-2-(4-methoxyphenyl)pyrazol-3-yl]benzenecarbonitrile

Systemtic Name: 4-[5-[1,4-bis(oxidanyl)cyclohexyl]-2-(4-methoxyphenyl)pyrazol-3-yl]benzenecarbonitrile Openeye Name: 4-[5-(1,4-dihydroxycyclohexyl)-2-(4-methoxyphenyl)pyrazol-3-yl]benzonitrile CAS Name: 4-[5-(1,4-dihydroxycyclohexyl)-2-(4-methoxyphenyl)-3-pyrazolyl]benzonitrile IUPAC Name: 4-[5-(1,4-dihydroxycyclohexyl)-2-(4-methoxyphenyl)pyrazol-3-yl]benzonitrile Traditional Name: 4-[5-(1,4-dihydroxycyclohexyl)-2-(4-methoxyphenyl)pyrazol-3-yl]benzonitrile Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=CC(=N2)C3(CCC(CC3)O)O)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=CC(=N2)C3(CCC(CC3)O)O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H23N3O3/c1-29-20-8-6-18(7-9-20)26-21(17-4-2-16(15-24)3-5-17)14-22(25-26)23(28)12-10-19(27)11-13-23/h2-9,14,19,27-28H,10-13H2,1H3